General Information of the Compound
| Compound ID |
CP0058668
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| Compound Name |
2-(dimethylamino)-5-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]cyclohexa-2,5-diene-1,4-dione
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| Structure |
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| Formula |
C20H22N4O5
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| Molecular Weight |
398.419
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| Canonical SMILES |
COCCOc1cc2ncnc(NC3=CC(=O)C(=CC3=O)N(C)C)c2cc1OC
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| InChI |
InChI=1S/C20H22N4O5/c1-24(2)15-10-16(25)14(8-17(15)26)23-20-12-7-18(28-4)19(29-6-5-27-3)9-13(12)21-11-22-20/h7-11H,5-6H2,1-4H3,(H,21,22,23)
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| InChIKey |
UUBZWAIPFFICKP-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound